N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C22H27N5O2S2 — CID 71469044

IUPACN-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C22H27N5O2S2/c1-14(2)13-17-19(27-22(31-17)21-25-11-12-30-21)20(29)24-10-6-5-9-18(28)26-16-8-4-3-7-15(16)23/h3-4,7-8,11-12,14H,5-6,9-10,13,23H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyCUQVNUXEQPRTHR-UHFFFAOYSA-N
MW457.63 g/mol
LogP4.59
Rot. Bonds10

About N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71469044) has the molecular formula C22H27N5O2S2 and a molecular weight of 457.63 g/mol. Its IUPAC name is N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71469044
Molecular FormulaC22H27N5O2S2
Molecular Weight457.63 g/mol
Exact Mass457.16
IUPAC NameN-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)Nc1ccccc1N
InChIInChI=1S/C22H27N5O2S2/c1-14(2)13-17-19(27-22(31-17)21-25-11-12-30-21)20(29)24-10-6-5-9-18(28)26-16-8-4-3-7-15(16)23/h3-4,7-8,11-12,14H,5-6,9-10,13,23H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyCUQVNUXEQPRTHR-UHFFFAOYSA-N
XLogP4.59
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71469044) is N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)Cc1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CUQVNUXEQPRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S2/c1-14(2)13-17-19(27-22(31-17)21-25-11-12-30-21)20(29)24-10-6-5-9-18(28)26-16-8-4-3-7-15(16)23/h3-4,7-8,11-12,14H,5-6,9-10,13,23H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 457.63 g/mol, XLogP of 4.59, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoanilino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71469044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).